In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 33 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.57 | 13.41 | -16.89 | 1 | 6 | 0 | 67 | 448.611 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 14.16 | -32.17 | 2 | 6 | 1 | 68 | 449.619 | 11 | ↓ |